USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ -157:sc= 0.851 (180deg=0.411) USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.513 USER MOD Set 2.1: A 49 GLN :FLIP amide:sc= -5.76! C(o=-12!,f=-9.1!) USER MOD Set 2.2: A 52 LYS NZ :NH3+ 180:sc= -3.32! (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0879) USER MOD Single : A 22 GLN : amide:sc= -3.39! C(o=-3.4!,f=-4.3!) USER MOD Single : A 23 ASN : amide:sc= -4.03! C(o=-4!,f=-18!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.807! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-6.4!) USER MOD Single : A 35 MET CE :methyl 172:sc= -0.0591 (180deg=-0.171) USER MOD Single : A 37 ASN : amide:sc= -2.25 K(o=-2.3,f=-3.5!) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0719 (180deg=-0.642) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 50 MET CE :methyl 180:sc= -0.701 (180deg=-0.701) USER MOD Single : A 61 GLN : amide:sc= -1.04 K(o=-1,f=-2.3!) USER MOD Single : A 63 ASN : amide:sc= -0.0548 K(o=-0.055,f=-3.2!) USER MOD Single : A 69 LYS NZ :NH3+ -119:sc= -1.18 (180deg=-3.2!) USER MOD Single : A 70 MET CE :methyl -145:sc= -4.93! (180deg=-7.39!) USER MOD Single : A 71 MET CE :methyl 170:sc= -2.39 (180deg=-2.68!) USER MOD Single : A 72 MET CE :methyl -160:sc= 0 (180deg=-0.935) USER MOD Single : A 73 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 81 ASN : amide:sc= -1.6! C(o=-1.6!,f=-15!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 13.722 -2.147 -2.243 1.00 0.00 N ATOM 108 CA GLU A 9 13.717 -1.184 -3.334 1.00 0.00 C ATOM 109 C GLU A 9 12.323 -1.065 -3.939 1.00 0.00 C ATOM 110 O GLU A 9 11.836 0.040 -4.177 1.00 0.00 O ATOM 111 CB GLU A 9 14.704 -1.616 -4.416 1.00 0.00 C ATOM 112 CG GLU A 9 14.786 -0.536 -5.495 1.00 0.00 C ATOM 113 CD GLU A 9 15.820 -0.925 -6.546 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.782 -2.058 -6.996 1.00 0.00 O ATOM 115 OE2 GLU A 9 16.637 -0.084 -6.885 1.00 0.00 O ATOM 0 HA GLU A 9 14.013 -0.214 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.688 -1.783 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.386 -2.561 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.811 -0.404 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.055 0.420 -5.045 1.00 0.00 H new ATOM 122 N GLU A 10 11.687 -2.201 -4.185 1.00 0.00 N ATOM 123 CA GLU A 10 10.353 -2.203 -4.766 1.00 0.00 C ATOM 124 C GLU A 10 9.411 -1.355 -3.913 1.00 0.00 C ATOM 125 O GLU A 10 8.565 -0.627 -4.434 1.00 0.00 O ATOM 126 CB GLU A 10 9.837 -3.665 -4.885 1.00 0.00 C ATOM 127 CG GLU A 10 8.854 -4.035 -3.753 1.00 0.00 C ATOM 128 CD GLU A 10 7.469 -3.477 -4.054 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.368 -2.674 -4.965 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.527 -3.863 -3.373 1.00 0.00 O ATOM 0 H GLU A 10 12.070 -3.127 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 10 10.389 -1.768 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.344 -3.796 -5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.685 -4.350 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.802 -5.119 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.215 -3.639 -2.804 1.00 0.00 H new ATOM 137 N LEU A 11 9.559 -1.476 -2.596 1.00 0.00 N ATOM 138 CA LEU A 11 8.714 -0.735 -1.677 1.00 0.00 C ATOM 139 C LEU A 11 8.898 0.750 -1.891 1.00 0.00 C ATOM 140 O LEU A 11 7.928 1.510 -1.914 1.00 0.00 O ATOM 141 CB LEU A 11 9.060 -1.101 -0.226 1.00 0.00 C ATOM 142 CG LEU A 11 8.777 -2.589 0.032 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.193 -2.947 1.462 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.284 -2.892 -0.169 1.00 0.00 C ATOM 0 H LEU A 11 10.252 -2.076 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 11 7.673 -0.997 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.110 -0.884 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.475 -0.489 0.460 1.00 0.00 H new ATOM 0 HG LEU A 11 9.351 -3.188 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.993 -4.003 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.258 -2.752 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.625 -2.341 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.099 -3.950 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.695 -2.293 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.998 -2.648 -1.192 1.00 0.00 H new ATOM 156 N LYS A 12 10.146 1.159 -2.050 1.00 0.00 N ATOM 157 CA LYS A 12 10.440 2.568 -2.264 1.00 0.00 C ATOM 158 C LYS A 12 9.806 3.059 -3.564 1.00 0.00 C ATOM 159 O LYS A 12 9.142 4.097 -3.591 1.00 0.00 O ATOM 160 CB LYS A 12 11.954 2.768 -2.321 1.00 0.00 C ATOM 161 CG LYS A 12 12.574 2.493 -0.944 1.00 0.00 C ATOM 162 CD LYS A 12 12.442 3.729 -0.050 1.00 0.00 C ATOM 163 CE LYS A 12 13.156 3.476 1.276 1.00 0.00 C ATOM 164 NZ LYS A 12 12.829 4.577 2.222 1.00 0.00 N ATOM 0 H LYS A 12 10.962 0.547 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 12 10.023 3.143 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.389 2.100 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.183 3.787 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.078 1.642 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.625 2.227 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.872 4.598 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.390 3.952 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.847 2.518 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.233 3.423 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.571 4.643 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.773 5.476 1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.915 4.383 2.678 1.00 0.00 H new ATOM 178 N GLU A 13 10.010 2.312 -4.643 1.00 0.00 N ATOM 179 CA GLU A 13 9.452 2.692 -5.932 1.00 0.00 C ATOM 180 C GLU A 13 7.935 2.793 -5.839 1.00 0.00 C ATOM 181 O GLU A 13 7.338 3.790 -6.253 1.00 0.00 O ATOM 182 CB GLU A 13 9.840 1.651 -6.988 1.00 0.00 C ATOM 183 CG GLU A 13 11.346 1.726 -7.257 1.00 0.00 C ATOM 184 CD GLU A 13 11.755 0.629 -8.234 1.00 0.00 C ATOM 185 OE1 GLU A 13 10.886 -0.113 -8.659 1.00 0.00 O ATOM 186 OE2 GLU A 13 12.932 0.550 -8.545 1.00 0.00 O ATOM 0 H GLU A 13 10.552 1.448 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 13 9.852 3.665 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.571 0.652 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.287 1.830 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.603 2.703 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.897 1.617 -6.323 1.00 0.00 H new ATOM 193 N ALA A 14 7.316 1.757 -5.285 1.00 0.00 N ATOM 194 CA ALA A 14 5.868 1.742 -5.131 1.00 0.00 C ATOM 195 C ALA A 14 5.411 2.966 -4.351 1.00 0.00 C ATOM 196 O ALA A 14 4.459 3.644 -4.738 1.00 0.00 O ATOM 197 CB ALA A 14 5.429 0.472 -4.398 1.00 0.00 C ATOM 0 H ALA A 14 7.790 0.923 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 14 5.413 1.759 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.345 0.472 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.736 -0.403 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.893 0.442 -3.412 1.00 0.00 H new ATOM 203 N PHE A 15 6.093 3.247 -3.246 1.00 0.00 N ATOM 204 CA PHE A 15 5.743 4.394 -2.419 1.00 0.00 C ATOM 205 C PHE A 15 5.695 5.661 -3.267 1.00 0.00 C ATOM 206 O PHE A 15 4.746 6.441 -3.179 1.00 0.00 O ATOM 207 CB PHE A 15 6.778 4.563 -1.300 1.00 0.00 C ATOM 208 CG PHE A 15 6.563 5.889 -0.597 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.357 6.142 0.065 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.569 6.868 -0.620 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.155 7.370 0.707 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.364 8.096 0.020 1.00 0.00 C ATOM 213 CZ PHE A 15 6.158 8.346 0.684 1.00 0.00 C ATOM 0 H PHE A 15 6.884 2.701 -2.905 1.00 0.00 H new ATOM 0 HA PHE A 15 4.760 4.223 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.692 3.744 -0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.785 4.520 -1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.582 5.390 0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.500 6.674 -1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.225 7.564 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.137 8.850 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.001 9.293 1.179 1.00 0.00 H new ATOM 223 N LYS A 16 6.718 5.860 -4.084 1.00 0.00 N ATOM 224 CA LYS A 16 6.774 7.037 -4.941 1.00 0.00 C ATOM 225 C LYS A 16 5.599 7.040 -5.913 1.00 0.00 C ATOM 226 O LYS A 16 5.041 8.091 -6.225 1.00 0.00 O ATOM 227 CB LYS A 16 8.091 7.056 -5.716 1.00 0.00 C ATOM 228 CG LYS A 16 8.211 8.368 -6.491 1.00 0.00 C ATOM 229 CD LYS A 16 9.573 8.427 -7.187 1.00 0.00 C ATOM 230 CE LYS A 16 9.703 9.752 -7.941 1.00 0.00 C ATOM 231 NZ LYS A 16 11.034 9.813 -8.609 1.00 0.00 N ATOM 0 H LYS A 16 7.514 5.229 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 16 6.715 7.928 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.930 6.950 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.132 6.211 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.411 8.442 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.100 9.214 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.373 8.334 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.677 7.591 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.908 9.841 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.592 10.588 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.124 10.713 -9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.785 9.746 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.123 9.022 -9.279 1.00 0.00 H new ATOM 245 N VAL A 17 5.222 5.854 -6.382 1.00 0.00 N ATOM 246 CA VAL A 17 4.102 5.733 -7.309 1.00 0.00 C ATOM 247 C VAL A 17 2.786 6.059 -6.607 1.00 0.00 C ATOM 248 O VAL A 17 1.943 6.776 -7.145 1.00 0.00 O ATOM 249 CB VAL A 17 4.048 4.315 -7.883 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.795 4.156 -8.747 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.296 4.072 -8.739 1.00 0.00 C ATOM 0 H VAL A 17 5.671 4.971 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 17 4.248 6.444 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 17 4.015 3.592 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.760 3.146 -9.154 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.908 4.333 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.823 4.876 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.264 3.063 -9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.325 4.796 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.188 4.184 -8.122 1.00 0.00 H new ATOM 261 N PHE A 18 2.616 5.527 -5.401 1.00 0.00 N ATOM 262 CA PHE A 18 1.402 5.769 -4.633 1.00 0.00 C ATOM 263 C PHE A 18 1.300 7.239 -4.237 1.00 0.00 C ATOM 264 O PHE A 18 0.238 7.851 -4.350 1.00 0.00 O ATOM 265 CB PHE A 18 1.389 4.879 -3.372 1.00 0.00 C ATOM 266 CG PHE A 18 0.563 3.640 -3.616 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.823 3.691 -3.444 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.178 2.450 -4.015 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.598 2.551 -3.670 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.403 1.309 -4.243 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.986 1.359 -4.070 1.00 0.00 C ATOM 0 H PHE A 18 3.300 4.929 -4.937 1.00 0.00 H new ATOM 0 HA PHE A 18 0.543 5.519 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.408 4.599 -3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.981 5.437 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.295 4.612 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.249 2.412 -4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.669 2.590 -3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.876 0.389 -4.553 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.584 0.477 -4.245 1.00 0.00 H new ATOM 281 N ASP A 19 2.407 7.795 -3.764 1.00 0.00 N ATOM 282 CA ASP A 19 2.427 9.188 -3.344 1.00 0.00 C ATOM 283 C ASP A 19 2.551 10.104 -4.557 1.00 0.00 C ATOM 284 O ASP A 19 3.528 10.835 -4.697 1.00 0.00 O ATOM 285 CB ASP A 19 3.602 9.427 -2.393 1.00 0.00 C ATOM 286 CG ASP A 19 3.395 10.727 -1.627 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.605 11.537 -2.083 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.031 10.896 -0.600 1.00 0.00 O ATOM 0 H ASP A 19 3.297 7.306 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 19 1.494 9.412 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.691 8.594 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.534 9.472 -2.957 1.00 0.00 H new ATOM 293 N LYS A 20 1.558 10.044 -5.436 1.00 0.00 N ATOM 294 CA LYS A 20 1.574 10.856 -6.647 1.00 0.00 C ATOM 295 C LYS A 20 1.705 12.329 -6.291 1.00 0.00 C ATOM 296 O LYS A 20 2.478 13.060 -6.911 1.00 0.00 O ATOM 297 CB LYS A 20 0.280 10.636 -7.431 1.00 0.00 C ATOM 298 CG LYS A 20 0.173 9.168 -7.865 1.00 0.00 C ATOM 299 CD LYS A 20 1.179 8.867 -8.986 1.00 0.00 C ATOM 300 CE LYS A 20 0.777 7.584 -9.710 1.00 0.00 C ATOM 301 NZ LYS A 20 -0.341 7.876 -10.649 1.00 0.00 N ATOM 0 H LYS A 20 0.737 9.447 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 20 2.427 10.560 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.578 10.905 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.261 11.285 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.362 8.515 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.839 8.957 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.212 9.698 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.181 8.762 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.629 7.179 -10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.472 6.826 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.020 7.089 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.820 8.752 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.035 7.992 -11.612 1.00 0.00 H new ATOM 315 N ASP A 21 0.951 12.761 -5.291 1.00 0.00 N ATOM 316 CA ASP A 21 0.998 14.153 -4.863 1.00 0.00 C ATOM 317 C ASP A 21 2.328 14.456 -4.175 1.00 0.00 C ATOM 318 O ASP A 21 2.720 15.614 -4.043 1.00 0.00 O ATOM 319 CB ASP A 21 -0.162 14.442 -3.907 1.00 0.00 C ATOM 320 CG ASP A 21 -0.035 13.583 -2.650 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.084 13.305 -2.262 1.00 0.00 O ATOM 322 OD2 ASP A 21 -1.057 13.214 -2.098 1.00 0.00 O ATOM 0 H ASP A 21 0.304 12.174 -4.764 1.00 0.00 H new ATOM 0 HA ASP A 21 0.907 14.792 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.165 15.498 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.111 14.237 -4.402 1.00 0.00 H new ATOM 327 N GLN A 22 3.013 13.406 -3.733 1.00 0.00 N ATOM 328 CA GLN A 22 4.295 13.573 -3.056 1.00 0.00 C ATOM 329 C GLN A 22 4.121 14.388 -1.775 1.00 0.00 C ATOM 330 O GLN A 22 4.981 15.194 -1.419 1.00 0.00 O ATOM 331 CB GLN A 22 5.299 14.272 -3.993 1.00 0.00 C ATOM 332 CG GLN A 22 6.709 13.724 -3.748 1.00 0.00 C ATOM 333 CD GLN A 22 7.117 13.968 -2.299 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.302 15.116 -1.890 1.00 0.00 O ATOM 335 NE2 GLN A 22 7.261 12.953 -1.489 1.00 0.00 N ATOM 0 H GLN A 22 2.706 12.438 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 22 4.680 12.588 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.012 14.111 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.282 15.348 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.737 12.657 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.418 14.207 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.108 12.004 -1.829 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.527 13.110 -0.517 1.00 0.00 H new ATOM 344 N ASN A 23 3.006 14.175 -1.083 1.00 0.00 N ATOM 345 CA ASN A 23 2.734 14.901 0.150 1.00 0.00 C ATOM 346 C ASN A 23 3.377 14.196 1.338 1.00 0.00 C ATOM 347 O ASN A 23 3.334 14.694 2.466 1.00 0.00 O ATOM 348 CB ASN A 23 1.226 15.006 0.370 1.00 0.00 C ATOM 349 CG ASN A 23 0.641 13.618 0.585 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.380 12.635 0.623 1.00 0.00 O ATOM 351 ND2 ASN A 23 -0.650 13.479 0.730 1.00 0.00 N ATOM 0 H ASN A 23 2.281 13.510 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 23 3.158 15.901 0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.018 15.637 1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.755 15.480 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.050 12.552 0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.258 14.297 0.698 1.00 0.00 H new ATOM 358 N GLY A 24 3.981 13.039 1.081 1.00 0.00 N ATOM 359 CA GLY A 24 4.645 12.271 2.133 1.00 0.00 C ATOM 360 C GLY A 24 3.735 11.174 2.669 1.00 0.00 C ATOM 361 O GLY A 24 4.206 10.128 3.115 1.00 0.00 O ATOM 0 H GLY A 24 4.025 12.612 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.561 11.829 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.935 12.937 2.946 1.00 0.00 H new ATOM 365 N TYR A 25 2.426 11.419 2.623 1.00 0.00 N ATOM 366 CA TYR A 25 1.448 10.448 3.115 1.00 0.00 C ATOM 367 C TYR A 25 0.410 10.141 2.039 1.00 0.00 C ATOM 368 O TYR A 25 -0.133 11.044 1.403 1.00 0.00 O ATOM 369 CB TYR A 25 0.748 11.008 4.355 1.00 0.00 C ATOM 370 CG TYR A 25 1.761 11.690 5.249 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.315 12.918 4.867 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.144 11.095 6.458 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.253 13.550 5.692 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.081 11.729 7.283 1.00 0.00 C ATOM 375 CZ TYR A 25 3.636 12.956 6.900 1.00 0.00 C ATOM 376 OH TYR A 25 4.562 13.578 7.712 1.00 0.00 O ATOM 0 H TYR A 25 2.019 12.277 2.252 1.00 0.00 H new ATOM 0 HA TYR A 25 1.970 9.526 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.025 11.717 4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.252 10.204 4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.019 13.378 3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.717 10.148 6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.681 14.496 5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.376 11.271 8.216 1.00 0.00 H new ATOM 0 HH TYR A 25 4.714 13.033 8.512 1.00 0.00 H new ATOM 386 N ILE A 26 0.134 8.856 1.851 1.00 0.00 N ATOM 387 CA ILE A 26 -0.841 8.433 0.854 1.00 0.00 C ATOM 388 C ILE A 26 -2.257 8.707 1.341 1.00 0.00 C ATOM 389 O ILE A 26 -2.555 8.553 2.527 1.00 0.00 O ATOM 390 CB ILE A 26 -0.683 6.945 0.564 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.738 6.675 0.067 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.691 6.528 -0.512 1.00 0.00 C ATOM 393 CD1 ILE A 26 0.989 5.166 0.049 1.00 0.00 C ATOM 0 H ILE A 26 0.568 8.094 2.372 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.664 9.001 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.865 6.372 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.871 7.089 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.462 7.168 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.580 5.464 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.703 6.725 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.508 7.098 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.001 4.970 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.873 4.766 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.272 4.686 -0.617 1.00 0.00 H new ATOM 405 N SER A 27 -3.126 9.121 0.420 1.00 0.00 N ATOM 406 CA SER A 27 -4.517 9.420 0.758 1.00 0.00 C ATOM 407 C SER A 27 -5.459 8.416 0.101 1.00 0.00 C ATOM 408 O SER A 27 -5.026 7.543 -0.652 1.00 0.00 O ATOM 409 CB SER A 27 -4.874 10.835 0.296 1.00 0.00 C ATOM 410 OG SER A 27 -6.287 10.969 0.246 1.00 0.00 O ATOM 0 H SER A 27 -2.892 9.257 -0.564 1.00 0.00 H new ATOM 0 HA SER A 27 -4.630 9.351 1.840 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.451 11.571 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.444 11.029 -0.687 1.00 0.00 H new ATOM 0 HG SER A 27 -6.520 11.875 -0.048 1.00 0.00 H new ATOM 416 N ALA A 28 -6.749 8.545 0.392 1.00 0.00 N ATOM 417 CA ALA A 28 -7.746 7.643 -0.175 1.00 0.00 C ATOM 418 C ALA A 28 -7.872 7.852 -1.680 1.00 0.00 C ATOM 419 O ALA A 28 -7.913 6.893 -2.448 1.00 0.00 O ATOM 420 CB ALA A 28 -9.101 7.880 0.497 1.00 0.00 C ATOM 0 H ALA A 28 -7.127 9.260 1.013 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.425 6.617 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.842 7.204 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.014 7.694 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.413 8.911 0.333 1.00 0.00 H new ATOM 426 N SER A 29 -7.940 9.111 -2.091 1.00 0.00 N ATOM 427 CA SER A 29 -8.073 9.430 -3.507 1.00 0.00 C ATOM 428 C SER A 29 -6.913 8.835 -4.295 1.00 0.00 C ATOM 429 O SER A 29 -7.107 8.249 -5.360 1.00 0.00 O ATOM 430 CB SER A 29 -8.100 10.947 -3.699 1.00 0.00 C ATOM 431 OG SER A 29 -9.243 11.483 -3.045 1.00 0.00 O ATOM 0 H SER A 29 -7.906 9.921 -1.472 1.00 0.00 H new ATOM 0 HA SER A 29 -9.006 9.003 -3.874 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.192 11.393 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.127 11.190 -4.761 1.00 0.00 H new ATOM 0 HG SER A 29 -9.262 12.455 -3.165 1.00 0.00 H new ATOM 437 N GLU A 30 -5.709 8.985 -3.762 1.00 0.00 N ATOM 438 CA GLU A 30 -4.526 8.452 -4.423 1.00 0.00 C ATOM 439 C GLU A 30 -4.579 6.929 -4.454 1.00 0.00 C ATOM 440 O GLU A 30 -4.231 6.304 -5.456 1.00 0.00 O ATOM 441 CB GLU A 30 -3.268 8.908 -3.681 1.00 0.00 C ATOM 442 CG GLU A 30 -3.104 10.421 -3.842 1.00 0.00 C ATOM 443 CD GLU A 30 -1.967 10.916 -2.962 1.00 0.00 C ATOM 444 OE1 GLU A 30 -2.223 11.189 -1.801 1.00 0.00 O ATOM 445 OE2 GLU A 30 -0.858 11.018 -3.459 1.00 0.00 O ATOM 0 H GLU A 30 -5.526 9.467 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.498 8.825 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.341 8.649 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.393 8.392 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.900 10.664 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.031 10.927 -3.572 1.00 0.00 H new ATOM 452 N LEU A 31 -5.005 6.334 -3.345 1.00 0.00 N ATOM 453 CA LEU A 31 -5.080 4.883 -3.257 1.00 0.00 C ATOM 454 C LEU A 31 -6.068 4.345 -4.294 1.00 0.00 C ATOM 455 O LEU A 31 -5.773 3.401 -5.028 1.00 0.00 O ATOM 456 CB LEU A 31 -5.517 4.472 -1.838 1.00 0.00 C ATOM 457 CG LEU A 31 -4.905 3.115 -1.467 1.00 0.00 C ATOM 458 CD1 LEU A 31 -5.235 2.785 -0.010 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.457 2.020 -2.385 1.00 0.00 C ATOM 0 H LEU A 31 -5.300 6.829 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.097 4.459 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.203 5.229 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.604 4.415 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.823 3.166 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.800 1.821 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.824 3.557 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.317 2.741 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.016 1.061 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.540 1.965 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.208 2.253 -3.420 1.00 0.00 H new ATOM 471 N ARG A 32 -7.238 4.968 -4.359 1.00 0.00 N ATOM 472 CA ARG A 32 -8.248 4.552 -5.314 1.00 0.00 C ATOM 473 C ARG A 32 -7.734 4.720 -6.738 1.00 0.00 C ATOM 474 O ARG A 32 -7.909 3.843 -7.577 1.00 0.00 O ATOM 475 CB ARG A 32 -9.525 5.383 -5.124 1.00 0.00 C ATOM 476 CG ARG A 32 -10.530 5.059 -6.237 1.00 0.00 C ATOM 477 CD ARG A 32 -11.816 5.854 -6.018 1.00 0.00 C ATOM 478 NE ARG A 32 -12.533 5.350 -4.852 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.364 4.317 -4.951 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.549 3.737 -6.108 1.00 0.00 N ATOM 481 NH2 ARG A 32 -13.996 3.882 -3.897 1.00 0.00 N ATOM 0 H ARG A 32 -7.506 5.754 -3.767 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.474 3.500 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.966 5.170 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.283 6.446 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.102 5.303 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.748 3.991 -6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.580 6.909 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.450 5.783 -6.902 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.395 5.797 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.056 4.077 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.186 2.944 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.853 4.334 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.633 3.089 -3.975 1.00 0.00 H new ATOM 495 N HIS A 33 -7.097 5.850 -7.005 1.00 0.00 N ATOM 496 CA HIS A 33 -6.579 6.116 -8.339 1.00 0.00 C ATOM 497 C HIS A 33 -5.623 5.014 -8.772 1.00 0.00 C ATOM 498 O HIS A 33 -5.622 4.598 -9.930 1.00 0.00 O ATOM 499 CB HIS A 33 -5.860 7.465 -8.353 1.00 0.00 C ATOM 500 CG HIS A 33 -6.871 8.573 -8.244 1.00 0.00 C ATOM 501 ND1 HIS A 33 -8.073 8.415 -7.573 1.00 0.00 N ATOM 502 CD2 HIS A 33 -6.871 9.865 -8.711 1.00 0.00 C ATOM 503 CE1 HIS A 33 -8.742 9.580 -7.654 1.00 0.00 C ATOM 504 NE2 HIS A 33 -8.053 10.498 -8.338 1.00 0.00 N ATOM 0 H HIS A 33 -6.927 6.590 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.414 6.143 -9.039 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.153 7.521 -7.525 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.284 7.573 -9.272 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.075 10.320 -9.281 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.716 9.752 -7.220 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.333 11.457 -8.543 1.00 0.00 H new ATOM 512 N VAL A 34 -4.811 4.549 -7.834 1.00 0.00 N ATOM 513 CA VAL A 34 -3.852 3.492 -8.129 1.00 0.00 C ATOM 514 C VAL A 34 -4.573 2.174 -8.432 1.00 0.00 C ATOM 515 O VAL A 34 -4.211 1.448 -9.369 1.00 0.00 O ATOM 516 CB VAL A 34 -2.899 3.299 -6.942 1.00 0.00 C ATOM 517 CG1 VAL A 34 -2.017 2.066 -7.178 1.00 0.00 C ATOM 518 CG2 VAL A 34 -2.013 4.542 -6.791 1.00 0.00 C ATOM 0 H VAL A 34 -4.795 4.883 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.279 3.786 -9.008 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.482 3.154 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.342 1.934 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.647 1.182 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.434 2.204 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.336 4.406 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.433 4.688 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.640 5.416 -6.615 1.00 0.00 H new ATOM 528 N MET A 35 -5.595 1.869 -7.640 1.00 0.00 N ATOM 529 CA MET A 35 -6.339 0.630 -7.824 1.00 0.00 C ATOM 530 C MET A 35 -6.994 0.599 -9.196 1.00 0.00 C ATOM 531 O MET A 35 -6.962 -0.423 -9.885 1.00 0.00 O ATOM 532 CB MET A 35 -7.412 0.517 -6.737 1.00 0.00 C ATOM 533 CG MET A 35 -6.742 0.161 -5.401 1.00 0.00 C ATOM 534 SD MET A 35 -6.120 -1.538 -5.464 1.00 0.00 S ATOM 535 CE MET A 35 -4.765 -1.332 -4.282 1.00 0.00 C ATOM 0 H MET A 35 -5.924 2.455 -6.873 1.00 0.00 H new ATOM 0 HA MET A 35 -5.649 -0.211 -7.750 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.955 1.458 -6.646 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.141 -0.247 -7.007 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.923 0.851 -5.199 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.457 0.267 -4.585 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.326 -2.304 -4.059 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.004 -0.680 -4.711 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.148 -0.887 -3.363 1.00 0.00 H new ATOM 545 N ILE A 36 -7.575 1.716 -9.597 1.00 0.00 N ATOM 546 CA ILE A 36 -8.221 1.802 -10.900 1.00 0.00 C ATOM 547 C ILE A 36 -7.174 1.803 -12.008 1.00 0.00 C ATOM 548 O ILE A 36 -7.343 1.150 -13.036 1.00 0.00 O ATOM 549 CB ILE A 36 -9.098 3.067 -10.972 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.480 2.772 -10.366 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.270 3.520 -12.431 1.00 0.00 C ATOM 552 CD1 ILE A 36 -10.344 2.289 -8.923 1.00 0.00 C ATOM 0 H ILE A 36 -7.614 2.573 -9.045 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.862 0.931 -11.038 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.609 3.862 -10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.096 3.671 -10.398 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.990 2.015 -10.962 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.892 4.415 -12.463 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.293 3.742 -12.861 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.747 2.725 -13.005 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.333 2.086 -8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.747 1.377 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.855 3.059 -8.326 1.00 0.00 H new ATOM 564 N ASN A 37 -6.103 2.553 -11.793 1.00 0.00 N ATOM 565 CA ASN A 37 -5.041 2.640 -12.781 1.00 0.00 C ATOM 566 C ASN A 37 -4.585 1.243 -13.168 1.00 0.00 C ATOM 567 O ASN A 37 -4.093 1.022 -14.276 1.00 0.00 O ATOM 568 CB ASN A 37 -3.865 3.440 -12.216 1.00 0.00 C ATOM 569 CG ASN A 37 -4.196 4.932 -12.222 1.00 0.00 C ATOM 570 OD1 ASN A 37 -4.947 5.398 -13.082 1.00 0.00 O ATOM 571 ND2 ASN A 37 -3.682 5.707 -11.310 1.00 0.00 N ATOM 0 H ASN A 37 -5.948 3.106 -10.950 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.418 3.150 -13.668 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.646 3.112 -11.200 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.970 3.255 -12.810 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.900 6.703 -11.305 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.061 5.318 -10.600 1.00 0.00 H new ATOM 578 N LEU A 38 -4.768 0.298 -12.251 1.00 0.00 N ATOM 579 CA LEU A 38 -4.392 -1.092 -12.514 1.00 0.00 C ATOM 580 C LEU A 38 -5.524 -1.839 -13.215 1.00 0.00 C ATOM 581 O LEU A 38 -5.489 -3.061 -13.344 1.00 0.00 O ATOM 582 CB LEU A 38 -4.046 -1.798 -11.205 1.00 0.00 C ATOM 583 CG LEU A 38 -2.771 -1.180 -10.614 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.551 -1.729 -9.200 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.550 -1.512 -11.499 1.00 0.00 C ATOM 0 H LEU A 38 -5.170 0.464 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.519 -1.090 -13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.871 -1.703 -10.499 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.899 -2.864 -11.381 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.886 -0.097 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.646 -1.292 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.405 -1.473 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.445 -2.813 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.655 -1.066 -11.066 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.426 -2.593 -11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.707 -1.111 -12.500 1.00 0.00 H new ATOM 597 N GLY A 39 -6.524 -1.093 -13.670 1.00 0.00 N ATOM 598 CA GLY A 39 -7.658 -1.692 -14.365 1.00 0.00 C ATOM 599 C GLY A 39 -8.463 -2.575 -13.423 1.00 0.00 C ATOM 600 O GLY A 39 -9.059 -3.568 -13.843 1.00 0.00 O ATOM 0 H GLY A 39 -6.573 -0.079 -13.571 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.297 -0.908 -14.771 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.302 -2.282 -15.209 1.00 0.00 H new ATOM 604 N GLU A 40 -8.478 -2.213 -12.141 1.00 0.00 N ATOM 605 CA GLU A 40 -9.212 -2.988 -11.141 1.00 0.00 C ATOM 606 C GLU A 40 -10.031 -2.079 -10.237 1.00 0.00 C ATOM 607 O GLU A 40 -9.619 -1.762 -9.119 1.00 0.00 O ATOM 608 CB GLU A 40 -8.238 -3.787 -10.287 1.00 0.00 C ATOM 609 CG GLU A 40 -7.589 -4.888 -11.134 1.00 0.00 C ATOM 610 CD GLU A 40 -6.564 -5.659 -10.304 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.389 -5.318 -9.145 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.969 -6.580 -10.840 1.00 0.00 O ATOM 0 H GLU A 40 -7.994 -1.394 -11.772 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.887 -3.662 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.471 -3.128 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.761 -4.228 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.354 -5.570 -11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.105 -4.448 -12.006 1.00 0.00 H new ATOM 619 N LYS A 41 -11.186 -1.659 -10.735 1.00 0.00 N ATOM 620 CA LYS A 41 -12.067 -0.786 -9.979 1.00 0.00 C ATOM 621 C LYS A 41 -12.545 -1.487 -8.717 1.00 0.00 C ATOM 622 O LYS A 41 -13.247 -2.495 -8.783 1.00 0.00 O ATOM 623 CB LYS A 41 -13.281 -0.391 -10.833 1.00 0.00 C ATOM 624 CG LYS A 41 -12.851 -0.175 -12.286 1.00 0.00 C ATOM 625 CD LYS A 41 -14.046 0.317 -13.103 1.00 0.00 C ATOM 626 CE LYS A 41 -13.587 0.615 -14.531 1.00 0.00 C ATOM 627 NZ LYS A 41 -13.009 -0.619 -15.136 1.00 0.00 N ATOM 0 H LYS A 41 -11.533 -1.910 -11.661 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.512 0.111 -9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.041 -1.171 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.732 0.520 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.041 0.553 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.468 -1.105 -12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.833 -0.438 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.468 1.213 -12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.428 0.966 -15.129 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.844 1.413 -14.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.011 -0.531 -16.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.033 -0.745 -14.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.580 -1.442 -14.857 1.00 0.00 H new ATOM 641 N LEU A 42 -12.161 -0.943 -7.573 1.00 0.00 N ATOM 642 CA LEU A 42 -12.557 -1.512 -6.282 1.00 0.00 C ATOM 643 C LEU A 42 -13.610 -0.637 -5.616 1.00 0.00 C ATOM 644 O LEU A 42 -14.134 0.293 -6.230 1.00 0.00 O ATOM 645 CB LEU A 42 -11.342 -1.638 -5.360 1.00 0.00 C ATOM 646 CG LEU A 42 -10.359 -2.662 -5.946 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.078 -2.667 -5.110 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.986 -4.070 -5.954 1.00 0.00 C ATOM 0 H LEU A 42 -11.577 -0.110 -7.506 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.976 -2.502 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.853 -0.670 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.658 -1.950 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.126 -2.384 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.377 -3.393 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.627 -1.675 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.316 -2.937 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.275 -4.782 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.236 -4.363 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.891 -4.062 -6.561 1.00 0.00 H new ATOM 660 N THR A 43 -13.919 -0.945 -4.358 1.00 0.00 N ATOM 661 CA THR A 43 -14.921 -0.186 -3.613 1.00 0.00 C ATOM 662 C THR A 43 -14.252 0.684 -2.558 1.00 0.00 C ATOM 663 O THR A 43 -13.241 0.300 -1.969 1.00 0.00 O ATOM 664 CB THR A 43 -15.909 -1.152 -2.936 1.00 0.00 C ATOM 665 OG1 THR A 43 -15.211 -2.312 -2.504 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.004 -1.554 -3.922 1.00 0.00 C ATOM 0 H THR A 43 -13.493 -1.710 -3.836 1.00 0.00 H new ATOM 0 HA THR A 43 -15.460 0.457 -4.309 1.00 0.00 H new ATOM 0 HB THR A 43 -16.366 -0.657 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.838 -2.928 -2.071 1.00 0.00 H new ATOM 0 HG21 THR A 43 -17.699 -2.238 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.541 -0.665 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 43 -16.554 -2.047 -4.784 1.00 0.00 H new ATOM 674 N ASP A 44 -14.828 1.856 -2.327 1.00 0.00 N ATOM 675 CA ASP A 44 -14.289 2.778 -1.339 1.00 0.00 C ATOM 676 C ASP A 44 -14.070 2.059 -0.016 1.00 0.00 C ATOM 677 O ASP A 44 -13.144 2.381 0.728 1.00 0.00 O ATOM 678 CB ASP A 44 -15.256 3.947 -1.132 1.00 0.00 C ATOM 679 CG ASP A 44 -14.571 5.054 -0.339 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.352 5.098 -0.348 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.277 5.843 0.269 1.00 0.00 O ATOM 0 H ASP A 44 -15.664 2.189 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.334 3.159 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.588 4.331 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.145 3.605 -0.602 1.00 0.00 H new ATOM 686 N GLU A 45 -14.925 1.083 0.274 1.00 0.00 N ATOM 687 CA GLU A 45 -14.805 0.335 1.519 1.00 0.00 C ATOM 688 C GLU A 45 -13.403 -0.250 1.658 1.00 0.00 C ATOM 689 O GLU A 45 -12.793 -0.178 2.724 1.00 0.00 O ATOM 690 CB GLU A 45 -15.836 -0.795 1.545 1.00 0.00 C ATOM 691 CG GLU A 45 -17.243 -0.201 1.628 1.00 0.00 C ATOM 692 CD GLU A 45 -18.284 -1.315 1.577 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.886 -2.467 1.527 1.00 0.00 O ATOM 694 OE2 GLU A 45 -19.462 -0.999 1.589 1.00 0.00 O ATOM 0 H GLU A 45 -15.697 0.795 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.987 1.014 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.741 -1.409 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.654 -1.448 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.352 0.368 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.402 0.495 0.804 1.00 0.00 H new ATOM 701 N GLU A 46 -12.902 -0.831 0.577 1.00 0.00 N ATOM 702 CA GLU A 46 -11.571 -1.431 0.592 1.00 0.00 C ATOM 703 C GLU A 46 -10.526 -0.392 0.979 1.00 0.00 C ATOM 704 O GLU A 46 -9.601 -0.679 1.742 1.00 0.00 O ATOM 705 CB GLU A 46 -11.241 -1.997 -0.789 1.00 0.00 C ATOM 706 CG GLU A 46 -12.219 -3.122 -1.131 1.00 0.00 C ATOM 707 CD GLU A 46 -12.023 -4.297 -0.180 1.00 0.00 C ATOM 708 OE1 GLU A 46 -10.908 -4.786 -0.095 1.00 0.00 O ATOM 709 OE2 GLU A 46 -12.989 -4.693 0.451 1.00 0.00 O ATOM 0 H GLU A 46 -13.391 -0.901 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.560 -2.236 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.301 -1.209 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.218 -2.374 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.244 -2.756 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.065 -3.448 -2.160 1.00 0.00 H new ATOM 716 N VAL A 47 -10.676 0.816 0.450 1.00 0.00 N ATOM 717 CA VAL A 47 -9.732 1.888 0.749 1.00 0.00 C ATOM 718 C VAL A 47 -9.760 2.234 2.236 1.00 0.00 C ATOM 719 O VAL A 47 -8.717 2.354 2.872 1.00 0.00 O ATOM 720 CB VAL A 47 -10.077 3.133 -0.073 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.218 4.319 0.390 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.801 2.857 -1.551 1.00 0.00 C ATOM 0 H VAL A 47 -11.433 1.077 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.731 1.545 0.488 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.131 3.375 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.468 5.201 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.412 4.519 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.163 4.079 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.046 3.742 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.747 2.613 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.413 2.019 -1.885 1.00 0.00 H new ATOM 732 N GLU A 48 -10.960 2.398 2.782 1.00 0.00 N ATOM 733 CA GLU A 48 -11.101 2.742 4.193 1.00 0.00 C ATOM 734 C GLU A 48 -10.513 1.644 5.074 1.00 0.00 C ATOM 735 O GLU A 48 -9.726 1.915 5.981 1.00 0.00 O ATOM 736 CB GLU A 48 -12.591 2.951 4.528 1.00 0.00 C ATOM 737 CG GLU A 48 -12.942 4.437 4.462 1.00 0.00 C ATOM 738 CD GLU A 48 -12.623 4.987 3.078 1.00 0.00 C ATOM 739 OE1 GLU A 48 -12.822 4.266 2.115 1.00 0.00 O ATOM 740 OE2 GLU A 48 -12.184 6.122 3.002 1.00 0.00 O ATOM 0 H GLU A 48 -11.840 2.300 2.276 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.555 3.665 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.211 2.392 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.806 2.563 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.000 4.579 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.381 4.986 5.219 1.00 0.00 H new ATOM 747 N GLN A 49 -10.905 0.408 4.805 1.00 0.00 N ATOM 748 CA GLN A 49 -10.418 -0.715 5.591 1.00 0.00 C ATOM 749 C GLN A 49 -8.894 -0.751 5.579 1.00 0.00 C ATOM 750 O GLN A 49 -8.266 -1.001 6.600 1.00 0.00 O ATOM 751 CB GLN A 49 -10.968 -2.024 5.022 1.00 0.00 C ATOM 752 CG GLN A 49 -12.486 -2.079 5.222 1.00 0.00 C ATOM 753 CD GLN A 49 -12.815 -2.205 6.704 1.00 0.00 C ATOM 754 OE1 GLN A 49 -13.578 -1.313 7.272 1.00 0.00 O flip ATOM 755 NE2 GLN A 49 -12.364 -3.144 7.363 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.552 0.159 4.057 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.759 -0.595 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.729 -2.099 3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.496 -2.873 5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.947 -1.179 4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.902 -2.926 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.767 -3.840 6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.587 -3.225 8.355 1.00 0.00 H new ATOM 764 N MET A 50 -8.307 -0.498 4.420 1.00 0.00 N ATOM 765 CA MET A 50 -6.851 -0.495 4.300 1.00 0.00 C ATOM 766 C MET A 50 -6.243 0.671 5.078 1.00 0.00 C ATOM 767 O MET A 50 -5.239 0.511 5.771 1.00 0.00 O ATOM 768 CB MET A 50 -6.473 -0.366 2.828 1.00 0.00 C ATOM 769 CG MET A 50 -6.750 -1.684 2.110 1.00 0.00 C ATOM 770 SD MET A 50 -6.553 -1.450 0.322 1.00 0.00 S ATOM 771 CE MET A 50 -4.746 -1.383 0.281 1.00 0.00 C ATOM 0 H MET A 50 -8.807 -0.294 3.555 1.00 0.00 H new ATOM 0 HA MET A 50 -6.464 -1.427 4.712 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.044 0.439 2.365 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.419 -0.104 2.735 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.066 -2.455 2.465 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.760 -2.027 2.334 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.410 -1.241 -0.746 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.399 -0.552 0.894 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.338 -2.316 0.670 1.00 0.00 H new ATOM 781 N ILE A 51 -6.856 1.847 4.955 1.00 0.00 N ATOM 782 CA ILE A 51 -6.350 3.032 5.644 1.00 0.00 C ATOM 783 C ILE A 51 -6.514 2.898 7.153 1.00 0.00 C ATOM 784 O ILE A 51 -5.591 3.173 7.912 1.00 0.00 O ATOM 785 CB ILE A 51 -7.098 4.278 5.164 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.728 4.562 3.708 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.717 5.483 6.032 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.673 5.617 3.136 1.00 0.00 C ATOM 0 H ILE A 51 -7.692 2.004 4.393 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.289 3.127 5.413 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.171 4.105 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.697 4.910 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.791 3.646 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.253 6.366 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.983 5.282 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.644 5.659 5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.408 5.818 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.699 5.251 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.588 6.535 3.717 1.00 0.00 H new ATOM 800 N LYS A 52 -7.693 2.481 7.581 1.00 0.00 N ATOM 801 CA LYS A 52 -7.959 2.334 9.005 1.00 0.00 C ATOM 802 C LYS A 52 -7.042 1.274 9.615 1.00 0.00 C ATOM 803 O LYS A 52 -6.442 1.484 10.671 1.00 0.00 O ATOM 804 CB LYS A 52 -9.445 1.959 9.222 1.00 0.00 C ATOM 805 CG LYS A 52 -9.623 0.430 9.271 1.00 0.00 C ATOM 806 CD LYS A 52 -11.095 0.081 9.406 1.00 0.00 C ATOM 807 CE LYS A 52 -11.215 -1.438 9.487 1.00 0.00 C ATOM 808 NZ LYS A 52 -12.643 -1.805 9.638 1.00 0.00 N ATOM 0 H LYS A 52 -8.475 2.240 6.972 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.757 3.282 9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.804 2.401 10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.051 2.374 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.216 -0.021 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.065 0.018 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.516 0.544 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.657 0.463 8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.802 -1.896 8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.638 -1.816 10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.731 -2.840 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.021 -1.378 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.180 -1.455 8.819 1.00 0.00 H new ATOM 822 N GLU A 53 -6.962 0.128 8.945 1.00 0.00 N ATOM 823 CA GLU A 53 -6.142 -0.962 9.424 1.00 0.00 C ATOM 824 C GLU A 53 -4.677 -0.561 9.431 1.00 0.00 C ATOM 825 O GLU A 53 -3.960 -0.811 10.403 1.00 0.00 O ATOM 826 CB GLU A 53 -6.353 -2.198 8.533 1.00 0.00 C ATOM 827 CG GLU A 53 -5.212 -3.190 8.750 1.00 0.00 C ATOM 828 CD GLU A 53 -5.611 -4.585 8.281 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.586 -4.692 7.557 1.00 0.00 O ATOM 830 OE2 GLU A 53 -4.929 -5.526 8.652 1.00 0.00 O ATOM 0 H GLU A 53 -7.456 -0.062 8.073 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.435 -1.204 10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.307 -2.669 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.394 -1.900 7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.327 -2.858 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.945 -3.219 9.806 1.00 0.00 H new ATOM 837 N ALA A 54 -4.239 0.062 8.347 1.00 0.00 N ATOM 838 CA ALA A 54 -2.855 0.486 8.238 1.00 0.00 C ATOM 839 C ALA A 54 -2.580 1.678 9.149 1.00 0.00 C ATOM 840 O ALA A 54 -1.598 1.692 9.891 1.00 0.00 O ATOM 841 CB ALA A 54 -2.546 0.868 6.791 1.00 0.00 C ATOM 0 H ALA A 54 -4.818 0.283 7.537 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.216 -0.342 8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.506 1.186 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.712 0.007 6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.199 1.684 6.483 1.00 0.00 H new ATOM 847 N ASP A 55 -3.449 2.681 9.080 1.00 0.00 N ATOM 848 CA ASP A 55 -3.286 3.881 9.891 1.00 0.00 C ATOM 849 C ASP A 55 -3.325 3.527 11.373 1.00 0.00 C ATOM 850 O ASP A 55 -4.299 2.954 11.859 1.00 0.00 O ATOM 851 CB ASP A 55 -4.399 4.883 9.574 1.00 0.00 C ATOM 852 CG ASP A 55 -4.152 6.182 10.327 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.332 6.171 11.229 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.774 7.172 9.979 1.00 0.00 O ATOM 0 H ASP A 55 -4.269 2.687 8.474 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.320 4.329 9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.434 5.075 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.366 4.467 9.855 1.00 0.00 H new ATOM 859 N LEU A 56 -2.253 3.870 12.086 1.00 0.00 N ATOM 860 CA LEU A 56 -2.165 3.584 13.516 1.00 0.00 C ATOM 861 C LEU A 56 -2.462 4.837 14.330 1.00 0.00 C ATOM 862 O LEU A 56 -2.828 4.751 15.502 1.00 0.00 O ATOM 863 CB LEU A 56 -0.764 3.074 13.857 1.00 0.00 C ATOM 864 CG LEU A 56 -0.441 1.847 12.997 1.00 0.00 C ATOM 865 CD1 LEU A 56 0.988 1.384 13.288 1.00 0.00 C ATOM 866 CD2 LEU A 56 -1.427 0.708 13.314 1.00 0.00 C ATOM 0 H LEU A 56 -1.437 4.344 11.698 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.902 2.820 13.763 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.028 3.858 13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.707 2.815 14.914 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.532 2.113 11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.219 0.511 12.677 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.686 2.187 13.052 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.078 1.123 14.342 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.190 -0.160 12.699 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.346 0.439 14.367 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.444 1.037 13.101 1.00 0.00 H new ATOM 878 N ASP A 57 -2.307 5.999 13.703 1.00 0.00 N ATOM 879 CA ASP A 57 -2.568 7.269 14.380 1.00 0.00 C ATOM 880 C ASP A 57 -3.922 7.834 13.963 1.00 0.00 C ATOM 881 O ASP A 57 -4.331 8.898 14.427 1.00 0.00 O ATOM 882 CB ASP A 57 -1.464 8.273 14.042 1.00 0.00 C ATOM 883 CG ASP A 57 -1.337 8.428 12.531 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.313 8.177 11.843 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.267 8.805 12.082 1.00 0.00 O ATOM 0 H ASP A 57 -2.004 6.090 12.733 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.582 7.091 15.455 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.689 9.238 14.496 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.516 7.937 14.461 1.00 0.00 H new ATOM 890 N GLY A 58 -4.617 7.111 13.089 1.00 0.00 N ATOM 891 CA GLY A 58 -5.928 7.550 12.627 1.00 0.00 C ATOM 892 C GLY A 58 -5.889 9.009 12.188 1.00 0.00 C ATOM 893 O GLY A 58 -6.805 9.778 12.479 1.00 0.00 O ATOM 0 H GLY A 58 -4.298 6.228 12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.253 6.924 11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.660 7.426 13.425 1.00 0.00 H new ATOM 897 N ASP A 59 -4.821 9.388 11.491 1.00 0.00 N ATOM 898 CA ASP A 59 -4.673 10.762 11.021 1.00 0.00 C ATOM 899 C ASP A 59 -5.479 10.988 9.746 1.00 0.00 C ATOM 900 O ASP A 59 -5.794 12.124 9.394 1.00 0.00 O ATOM 901 CB ASP A 59 -3.200 11.067 10.755 1.00 0.00 C ATOM 902 CG ASP A 59 -2.614 10.025 9.808 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.313 9.073 9.502 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.474 10.193 9.407 1.00 0.00 O ATOM 0 H ASP A 59 -4.051 8.768 11.241 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.049 11.430 11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.099 12.062 10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.646 11.070 11.693 1.00 0.00 H new ATOM 909 N GLY A 60 -5.809 9.898 9.057 1.00 0.00 N ATOM 910 CA GLY A 60 -6.578 9.981 7.815 1.00 0.00 C ATOM 911 C GLY A 60 -5.687 9.724 6.605 1.00 0.00 C ATOM 912 O GLY A 60 -6.177 9.556 5.487 1.00 0.00 O ATOM 0 H GLY A 60 -5.558 8.949 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.389 9.253 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.036 10.966 7.731 1.00 0.00 H new ATOM 916 N GLN A 61 -4.376 9.691 6.831 1.00 0.00 N ATOM 917 CA GLN A 61 -3.418 9.452 5.750 1.00 0.00 C ATOM 918 C GLN A 61 -2.402 8.393 6.161 1.00 0.00 C ATOM 919 O GLN A 61 -1.945 8.365 7.305 1.00 0.00 O ATOM 920 CB GLN A 61 -2.697 10.753 5.397 1.00 0.00 C ATOM 921 CG GLN A 61 -1.976 11.295 6.634 1.00 0.00 C ATOM 922 CD GLN A 61 -1.282 12.610 6.298 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.597 13.239 5.288 1.00 0.00 O ATOM 924 NE2 GLN A 61 -0.351 13.064 7.091 1.00 0.00 N ATOM 0 H GLN A 61 -3.952 9.826 7.749 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.962 9.093 4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.981 10.577 4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.413 11.489 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.690 11.447 7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.245 10.568 6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.093 12.540 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.119 13.943 6.875 1.00 0.00 H new ATOM 933 N VAL A 62 -2.061 7.513 5.225 1.00 0.00 N ATOM 934 CA VAL A 62 -1.106 6.448 5.508 1.00 0.00 C ATOM 935 C VAL A 62 0.320 6.967 5.368 1.00 0.00 C ATOM 936 O VAL A 62 0.707 7.481 4.315 1.00 0.00 O ATOM 937 CB VAL A 62 -1.324 5.287 4.538 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.632 4.031 5.076 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.822 5.022 4.379 1.00 0.00 C ATOM 0 H VAL A 62 -2.428 7.515 4.273 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.259 6.102 6.530 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.900 5.544 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.789 3.204 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.436 4.220 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.051 3.773 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.974 4.194 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.251 4.768 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.310 5.915 3.989 1.00 0.00 H new ATOM 949 N ASN A 63 1.100 6.826 6.434 1.00 0.00 N ATOM 950 CA ASN A 63 2.488 7.277 6.424 1.00 0.00 C ATOM 951 C ASN A 63 3.388 6.217 5.805 1.00 0.00 C ATOM 952 O ASN A 63 3.044 5.037 5.774 1.00 0.00 O ATOM 953 CB ASN A 63 2.952 7.574 7.853 1.00 0.00 C ATOM 954 CG ASN A 63 4.354 8.174 7.830 1.00 0.00 C ATOM 955 OD1 ASN A 63 4.695 8.924 6.917 1.00 0.00 O ATOM 956 ND2 ASN A 63 5.193 7.886 8.789 1.00 0.00 N ATOM 0 H ASN A 63 0.797 6.405 7.312 1.00 0.00 H new ATOM 0 HA ASN A 63 2.552 8.186 5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.259 8.265 8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.949 6.658 8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.132 8.283 8.781 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.909 7.264 9.546 1.00 0.00 H new ATOM 963 N TYR A 64 4.541 6.647 5.308 1.00 0.00 N ATOM 964 CA TYR A 64 5.481 5.724 4.686 1.00 0.00 C ATOM 965 C TYR A 64 5.785 4.558 5.622 1.00 0.00 C ATOM 966 O TYR A 64 5.838 3.408 5.195 1.00 0.00 O ATOM 967 CB TYR A 64 6.783 6.459 4.340 1.00 0.00 C ATOM 968 CG TYR A 64 7.825 5.462 3.877 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.788 4.963 2.570 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.823 5.033 4.761 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.750 4.038 2.147 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.781 4.106 4.338 1.00 0.00 C ATOM 973 CZ TYR A 64 9.746 3.610 3.032 1.00 0.00 C ATOM 974 OH TYR A 64 10.689 2.695 2.615 1.00 0.00 O ATOM 0 H TYR A 64 4.846 7.620 5.323 1.00 0.00 H new ATOM 0 HA TYR A 64 5.030 5.334 3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.599 7.196 3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.148 7.002 5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.018 5.291 1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.853 5.418 5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.723 3.655 1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.548 3.773 5.021 1.00 0.00 H new ATOM 0 HH TYR A 64 11.308 2.505 3.350 1.00 0.00 H new ATOM 984 N GLU A 65 5.991 4.865 6.897 1.00 0.00 N ATOM 985 CA GLU A 65 6.302 3.829 7.875 1.00 0.00 C ATOM 986 C GLU A 65 5.173 2.808 7.949 1.00 0.00 C ATOM 987 O GLU A 65 5.409 1.595 7.958 1.00 0.00 O ATOM 988 CB GLU A 65 6.498 4.468 9.252 1.00 0.00 C ATOM 989 CG GLU A 65 7.605 5.515 9.167 1.00 0.00 C ATOM 990 CD GLU A 65 7.796 6.187 10.525 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.130 5.783 11.464 1.00 0.00 O ATOM 992 OE2 GLU A 65 8.604 7.099 10.606 1.00 0.00 O ATOM 0 H GLU A 65 5.949 5.811 7.275 1.00 0.00 H new ATOM 0 HA GLU A 65 7.217 3.322 7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.569 4.930 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.758 3.705 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.537 5.046 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.353 6.262 8.415 1.00 0.00 H new ATOM 999 N GLU A 66 3.944 3.309 7.990 1.00 0.00 N ATOM 1000 CA GLU A 66 2.774 2.437 8.062 1.00 0.00 C ATOM 1001 C GLU A 66 2.693 1.539 6.830 1.00 0.00 C ATOM 1002 O GLU A 66 2.311 0.370 6.919 1.00 0.00 O ATOM 1003 CB GLU A 66 1.495 3.273 8.171 1.00 0.00 C ATOM 1004 CG GLU A 66 1.458 3.968 9.535 1.00 0.00 C ATOM 1005 CD GLU A 66 0.274 4.927 9.602 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.392 5.086 8.593 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.050 5.488 10.662 1.00 0.00 O ATOM 0 H GLU A 66 3.731 4.306 7.975 1.00 0.00 H new ATOM 0 HA GLU A 66 2.872 1.811 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.462 4.014 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.619 2.635 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.380 3.225 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.387 4.513 9.700 1.00 0.00 H new ATOM 1014 N PHE A 67 3.067 2.089 5.683 1.00 0.00 N ATOM 1015 CA PHE A 67 3.043 1.330 4.440 1.00 0.00 C ATOM 1016 C PHE A 67 4.058 0.191 4.476 1.00 0.00 C ATOM 1017 O PHE A 67 3.742 -0.943 4.124 1.00 0.00 O ATOM 1018 CB PHE A 67 3.346 2.250 3.260 1.00 0.00 C ATOM 1019 CG PHE A 67 3.359 1.443 1.981 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.184 0.827 1.531 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.542 1.316 1.241 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.195 0.086 0.342 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.549 0.574 0.055 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.375 -0.040 -0.393 1.00 0.00 C ATOM 0 H PHE A 67 3.389 3.052 5.587 1.00 0.00 H new ATOM 0 HA PHE A 67 2.047 0.903 4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.596 3.038 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.310 2.738 3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.271 0.923 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.448 1.791 1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.289 -0.388 -0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.461 0.475 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.381 -0.612 -1.309 1.00 0.00 H new ATOM 1034 N VAL A 68 5.282 0.507 4.887 1.00 0.00 N ATOM 1035 CA VAL A 68 6.340 -0.498 4.939 1.00 0.00 C ATOM 1036 C VAL A 68 5.940 -1.661 5.839 1.00 0.00 C ATOM 1037 O VAL A 68 5.861 -2.805 5.395 1.00 0.00 O ATOM 1038 CB VAL A 68 7.625 0.137 5.479 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.687 -0.946 5.682 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.144 1.178 4.487 1.00 0.00 C ATOM 0 H VAL A 68 5.565 1.440 5.186 1.00 0.00 H new ATOM 0 HA VAL A 68 6.505 -0.876 3.930 1.00 0.00 H new ATOM 0 HB VAL A 68 7.412 0.621 6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.601 -0.492 6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.321 -1.685 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.897 -1.433 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.058 1.627 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.354 0.697 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.391 1.953 4.346 1.00 0.00 H new ATOM 1050 N LYS A 69 5.687 -1.363 7.105 1.00 0.00 N ATOM 1051 CA LYS A 69 5.312 -2.407 8.050 1.00 0.00 C ATOM 1052 C LYS A 69 4.130 -3.211 7.521 1.00 0.00 C ATOM 1053 O LYS A 69 4.083 -4.430 7.673 1.00 0.00 O ATOM 1054 CB LYS A 69 4.960 -1.787 9.405 1.00 0.00 C ATOM 1055 CG LYS A 69 3.711 -0.913 9.269 1.00 0.00 C ATOM 1056 CD LYS A 69 3.375 -0.288 10.623 1.00 0.00 C ATOM 1057 CE LYS A 69 4.476 0.691 11.049 1.00 0.00 C ATOM 1058 NZ LYS A 69 5.503 -0.044 11.835 1.00 0.00 N ATOM 0 H LYS A 69 5.733 -0.423 7.498 1.00 0.00 H new ATOM 0 HA LYS A 69 6.160 -3.080 8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.786 -2.573 10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.795 -1.189 9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.880 -0.132 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.872 -1.512 8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.420 0.233 10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.265 -1.070 11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.931 1.150 10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.051 1.498 11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.560 0.357 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.241 -1.049 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.428 0.045 11.367 1.00 0.00 H new ATOM 1072 N MET A 70 3.174 -2.521 6.913 1.00 0.00 N ATOM 1073 CA MET A 70 1.998 -3.186 6.381 1.00 0.00 C ATOM 1074 C MET A 70 2.376 -4.116 5.238 1.00 0.00 C ATOM 1075 O MET A 70 1.905 -5.247 5.168 1.00 0.00 O ATOM 1076 CB MET A 70 0.990 -2.136 5.894 1.00 0.00 C ATOM 1077 CG MET A 70 0.165 -1.599 7.072 1.00 0.00 C ATOM 1078 SD MET A 70 -0.845 -2.927 7.785 1.00 0.00 S ATOM 1079 CE MET A 70 -1.839 -3.277 6.315 1.00 0.00 C ATOM 0 H MET A 70 3.191 -1.510 6.778 1.00 0.00 H new ATOM 0 HA MET A 70 1.546 -3.784 7.172 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.517 -1.315 5.407 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.328 -2.577 5.149 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.828 -1.188 7.833 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.477 -0.785 6.735 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.850 -3.550 6.616 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.876 -2.391 5.681 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.391 -4.101 5.760 1.00 0.00 H new ATOM 1089 N MET A 71 3.220 -3.630 4.348 1.00 0.00 N ATOM 1090 CA MET A 71 3.639 -4.426 3.210 1.00 0.00 C ATOM 1091 C MET A 71 4.318 -5.701 3.682 1.00 0.00 C ATOM 1092 O MET A 71 4.237 -6.739 3.025 1.00 0.00 O ATOM 1093 CB MET A 71 4.598 -3.616 2.334 1.00 0.00 C ATOM 1094 CG MET A 71 3.813 -2.610 1.480 1.00 0.00 C ATOM 1095 SD MET A 71 2.788 -3.481 0.264 1.00 0.00 S ATOM 1096 CE MET A 71 4.051 -3.684 -1.019 1.00 0.00 C ATOM 0 H MET A 71 3.626 -2.695 4.390 1.00 0.00 H new ATOM 0 HA MET A 71 2.760 -4.694 2.624 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.318 -3.089 2.961 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.167 -4.286 1.689 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.183 -1.992 2.120 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.504 -1.939 0.969 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.679 -4.356 -1.792 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.280 -2.714 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.954 -4.104 -0.577 1.00 0.00 H new ATOM 1106 N MET A 72 4.981 -5.621 4.830 1.00 0.00 N ATOM 1107 CA MET A 72 5.659 -6.789 5.385 1.00 0.00 C ATOM 1108 C MET A 72 4.674 -7.684 6.132 1.00 0.00 C ATOM 1109 O MET A 72 4.598 -8.886 5.877 1.00 0.00 O ATOM 1110 CB MET A 72 6.763 -6.339 6.337 1.00 0.00 C ATOM 1111 CG MET A 72 7.728 -5.413 5.596 1.00 0.00 C ATOM 1112 SD MET A 72 8.719 -6.379 4.431 1.00 0.00 S ATOM 1113 CE MET A 72 9.979 -5.120 4.114 1.00 0.00 C ATOM 0 H MET A 72 5.064 -4.772 5.389 1.00 0.00 H new ATOM 0 HA MET A 72 6.092 -7.359 4.563 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.331 -5.822 7.194 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.299 -7.205 6.725 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.172 -4.642 5.064 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.378 -4.904 6.307 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.490 -5.345 3.178 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.505 -4.141 4.043 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.702 -5.115 4.930 1.00 0.00 H new ATOM 1123 N THR A 73 3.923 -7.092 7.060 1.00 0.00 N ATOM 1124 CA THR A 73 2.952 -7.848 7.843 1.00 0.00 C ATOM 1125 C THR A 73 2.148 -8.776 6.941 1.00 0.00 C ATOM 1126 O THR A 73 1.664 -9.817 7.380 1.00 0.00 O ATOM 1127 CB THR A 73 2.006 -6.889 8.568 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.768 -5.908 9.258 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.153 -7.668 9.571 1.00 0.00 C ATOM 0 H THR A 73 3.969 -6.098 7.285 1.00 0.00 H new ATOM 0 HA THR A 73 3.490 -8.448 8.577 1.00 0.00 H new ATOM 0 HB THR A 73 1.355 -6.403 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.011 -5.188 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.480 -6.982 10.086 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.569 -8.422 9.044 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.802 -8.155 10.299 1.00 0.00 H new ATOM 1137 N VAL A 74 2.021 -8.397 5.677 1.00 0.00 N ATOM 1138 CA VAL A 74 1.279 -9.213 4.722 1.00 0.00 C ATOM 1139 C VAL A 74 1.913 -10.597 4.599 1.00 0.00 C ATOM 1140 O VAL A 74 1.214 -11.610 4.611 1.00 0.00 O ATOM 1141 CB VAL A 74 1.263 -8.527 3.349 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.776 -9.511 2.275 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.319 -7.318 3.394 1.00 0.00 C ATOM 0 H VAL A 74 2.417 -7.540 5.291 1.00 0.00 H new ATOM 0 HA VAL A 74 0.256 -9.325 5.081 1.00 0.00 H new ATOM 0 HB VAL A 74 2.273 -8.199 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.768 -9.015 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.446 -10.370 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.232 -9.847 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.307 -6.830 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.688 -7.652 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.667 -6.613 4.149 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.713 -7.892 5.772 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.130 -7.707 5.452 1.00 0.00 C ATOM 1207 C GLY A 80 -6.433 -8.234 4.057 1.00 0.00 C ATOM 1208 O GLY A 80 -5.675 -9.032 3.509 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.746 -8.227 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.388 -6.650 5.512 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.548 -7.781 3.488 1.00 0.00 N ATOM 1213 CA ASN A 81 -7.947 -8.206 2.149 1.00 0.00 C ATOM 1214 C ASN A 81 -7.448 -7.211 1.100 1.00 0.00 C ATOM 1215 O ASN A 81 -7.039 -7.598 0.005 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.475 -8.310 2.075 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.116 -7.058 2.665 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.478 -6.009 2.747 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.352 -7.105 3.082 1.00 0.00 N ATOM 0 H ASN A 81 -8.189 -7.123 3.931 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.504 -9.181 1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.789 -8.434 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.814 -9.192 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.789 -6.272 3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.881 -7.975 3.014 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.462 -5.931 1.447 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.001 -4.905 0.524 1.00 0.00 C ATOM 1228 C GLY A 82 -5.494 -4.997 0.300 1.00 0.00 C ATOM 1229 O GLY A 82 -5.031 -5.208 -0.822 1.00 0.00 O ATOM 0 H GLY A 82 -7.784 -5.582 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.520 -5.011 -0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.253 -3.920 0.917 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.730 -4.834 1.370 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.278 -4.904 1.268 1.00 0.00 C ATOM 1235 C TRP A 83 -2.863 -6.247 0.663 1.00 0.00 C ATOM 1236 O TRP A 83 -1.986 -6.316 -0.207 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.657 -4.740 2.658 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.022 -3.399 3.211 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.874 -3.195 4.242 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.575 -2.081 2.784 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.965 -1.836 4.484 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.188 -1.108 3.609 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.705 -1.640 1.772 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.945 0.256 3.435 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.460 -0.270 1.595 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -2.080 0.675 2.423 1.00 0.00 C ATOM 0 H TRP A 83 -5.085 -4.654 2.309 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.923 -4.102 0.621 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.012 -5.528 3.322 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.573 -4.838 2.598 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.397 -3.967 4.787 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.537 -1.423 5.220 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.223 -2.360 1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.422 0.981 4.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.789 0.058 0.815 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.889 1.728 2.278 1.00 0.00 H new ATOM 1257 N SER A 84 -3.513 -7.313 1.121 1.00 0.00 N ATOM 1258 CA SER A 84 -3.221 -8.649 0.615 1.00 0.00 C ATOM 1259 C SER A 84 -3.367 -8.679 -0.901 1.00 0.00 C ATOM 1260 O SER A 84 -2.592 -9.338 -1.594 1.00 0.00 O ATOM 1261 CB SER A 84 -4.170 -9.669 1.244 1.00 0.00 C ATOM 1262 OG SER A 84 -4.127 -10.875 0.495 1.00 0.00 O ATOM 0 H SER A 84 -4.240 -7.278 1.836 1.00 0.00 H new ATOM 0 HA SER A 84 -2.195 -8.905 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.884 -9.860 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.186 -9.275 1.262 1.00 0.00 H new ATOM 0 HG SER A 84 -4.733 -11.532 0.897 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.347 -7.938 -1.412 1.00 0.00 N ATOM 1269 CA ARG A 85 -4.556 -7.858 -2.854 1.00 0.00 C ATOM 1270 C ARG A 85 -3.453 -7.040 -3.516 1.00 0.00 C ATOM 1271 O ARG A 85 -3.015 -7.353 -4.626 1.00 0.00 O ATOM 1272 CB ARG A 85 -5.925 -7.241 -3.158 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.012 -8.298 -2.977 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.382 -7.649 -3.153 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.429 -8.656 -3.048 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.800 -9.371 -4.106 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.223 -9.177 -5.260 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.742 -10.267 -3.989 1.00 0.00 N ATOM 0 H ARG A 85 -5.003 -7.390 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.525 -8.869 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.110 -6.396 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.944 -6.856 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.881 -9.099 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.935 -8.749 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.529 -6.880 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.437 -7.155 -4.123 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.885 -8.815 -2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.487 -8.477 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.508 -9.726 -6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.193 -10.418 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.027 -10.816 -4.800 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.010 -5.993 -2.833 1.00 0.00 N ATOM 1293 CA LEU A 86 -1.960 -5.142 -3.374 1.00 0.00 C ATOM 1294 C LEU A 86 -0.675 -5.923 -3.501 1.00 0.00 C ATOM 1295 O LEU A 86 0.215 -5.540 -4.239 1.00 0.00 O ATOM 1296 CB LEU A 86 -1.741 -3.915 -2.484 1.00 0.00 C ATOM 1297 CG LEU A 86 -0.674 -2.987 -3.099 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -1.108 -2.536 -4.503 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.499 -1.764 -2.192 1.00 0.00 C ATOM 0 H LEU A 86 -3.356 -5.715 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.271 -4.800 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.679 -3.372 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.427 -4.231 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 86 0.270 -3.525 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.346 -1.881 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.233 -3.409 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.053 -1.997 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.254 -1.100 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.447 -1.233 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.179 -2.088 -1.202 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.572 -7.020 -2.767 1.00 0.00 N ATOM 1312 CA ARG A 87 0.621 -7.859 -2.834 1.00 0.00 C ATOM 1313 C ARG A 87 0.385 -9.077 -3.713 1.00 0.00 C ATOM 1314 O ARG A 87 1.121 -9.316 -4.673 1.00 0.00 O ATOM 1315 CB ARG A 87 1.019 -8.299 -1.433 1.00 0.00 C ATOM 1316 CG ARG A 87 2.341 -9.115 -1.479 1.00 0.00 C ATOM 1317 CD ARG A 87 3.446 -8.412 -0.684 1.00 0.00 C ATOM 1318 NE ARG A 87 4.003 -7.319 -1.473 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.224 -6.856 -1.230 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.927 -7.380 -0.267 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.721 -5.880 -1.948 1.00 0.00 N ATOM 0 H ARG A 87 -1.291 -7.350 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 87 1.428 -7.274 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.145 -7.426 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.225 -8.904 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.172 -10.112 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.658 -9.244 -2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.044 -8.028 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.231 -9.124 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 87 3.447 -6.905 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.539 -8.139 0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.866 -7.031 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.169 -5.469 -2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.660 -5.531 -1.754 1.00 0.00 H new ATOM 1335 N ARG A 88 -0.633 -9.855 -3.360 1.00 0.00 N ATOM 1336 CA ARG A 88 -0.951 -11.076 -4.100 1.00 0.00 C ATOM 1337 C ARG A 88 -0.791 -10.846 -5.596 1.00 0.00 C ATOM 1338 O ARG A 88 -0.160 -11.642 -6.292 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.388 -11.507 -3.793 1.00 0.00 C ATOM 1340 CG ARG A 88 -2.678 -12.853 -4.467 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.138 -13.237 -4.227 1.00 0.00 C ATOM 1342 NE ARG A 88 -4.373 -13.474 -2.808 1.00 0.00 N ATOM 1343 CZ ARG A 88 -3.957 -14.591 -2.220 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -3.328 -15.499 -2.914 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -4.177 -14.778 -0.948 1.00 0.00 N ATOM 0 H ARG A 88 -1.250 -9.665 -2.571 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.263 -11.863 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.531 -11.590 -2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.089 -10.752 -4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.479 -12.787 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.018 -13.622 -4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.793 -12.442 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.384 -14.132 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.865 -12.771 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.155 -15.352 -3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.009 -16.356 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.668 -14.067 -0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.858 -15.635 -0.496 1.00 0.00 H new